SCHEMBL4293704

SCHEMBL4293704

COc1cc(-c2cc3cc(CCC(=O)Oc4ccccc4F)ccc3o2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.53
CYP2C8 P10632 1/20 0.48
CSNK2A2 P19784 7/20 0.46
CSNK2B P67870 7/20 0.46
CSNK2A1 P68400 7/20 0.46
PTGES O14684 2/20 0.45
ALOX5 P09917 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4296164 0.91 CSNK2A2 (0.48) FFAR1CYP2C8CSNK2A2CSNK2BCSNK2A1
SCHEMBL4293707 0.88 FFAR1 (0.49) FFAR1CYP2C8CSNK2A2CSNK2BCSNK2A1
SCHEMBL3010999 0.88 FFAR1 (0.51) FFAR1CYP2C8CSNK2A2CSNK2BCSNK2A1
SCHEMBL3001663 0.85 CYP2C8 (0.55) FFAR1CYP2C8CSNK2A2CSNK2BCSNK2A1
SCHEMBL3012615 0.82 FFAR1 (0.63) FFAR1CYP2C8CSNK2A2CSNK2BCSNK2A1
SCHEMBL3002383 0.80 CYP2C8 (0.60) FFAR1CYP2C8ALOX5MEN1KMT2A
SCHEMBL4293918 0.80 CSNK2A2 (0.41) CYP2C8CSNK2A2CSNK2BCSNK2A1ALOX5
SCHEMBL3008716 0.80 CYP2C8 (0.53) FFAR1CYP2C8CSNK2A2CSNK2BCSNK2A1
SCHEMBL4296169 0.79 CSNK2A2 (0.48) FFAR1CYP2C8CSNK2A2CSNK2BCSNK2A1
SCHEMBL3013095 0.78 CSNK2A2 (0.50) FFAR1CYP2C8CSNK2A2CSNK2BCSNK2A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069321-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF Digital Biotech Co., Ltd. (KR) 2009-06-17 EP disclosed
WO-2008041826-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DIGITAL BIOTECH CO., LTD (KR) 2008-04-10 WO disclosed